1,25-Dihydroxy-23-Azavitamin D3
[CAS# 87407-70-3]

Identification

• Name: 1,25-Dihydroxy-23-Azavitamin D3
• Synonyms: (1R,3S,5E)-5-[(2E)-2-[1-[2-[(2-Hydroxy-2-Methyl-Propyl)Amino]-1-Methyl-Ethyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylene-Cyclohexane-1,3-Diol; (1R,3S,5E)-5-[(2E)-2-[1-[2-[(2-Hydroxy-2-Methylpropyl)Amino]-1-Methylethyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylenecyclohexane-1,3-Diol; (1R,3S,5E)-5-[(2E)-2-[1-[1-[(2-Hydroxy-2-Methyl-Propyl)Amino]Propan-2-Yl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylidene-Cyclohexane-1,3-Diol
• Molecular Formula: C₂₆H₄₃NO₃
• Molecular Weight: 417.63
• CAS Registry Number: 87407-70-3
• SMILES: [C@@H]3(O)C(C(=C\C=C/2C1C(C(CC1)C(CNCC(O)(C)C)C)(CCC2)C)\C[C@@H](O)C3)=C
• InChI: 1S/C26H43NO3/c1-17(15-27-16-25(3,4)30)22-10-11-23-19(7-6-12-26(22,23)5)8-9-20-13-21(28)14-24(29)18(20)2/h8-9,17,21-24,27-30H,2,6-7,10-16H2,1,3-5H3/b19-8+,20-9+/t17?,21-,22?,23?,24+,26?/m1/s1
• InChIKey: KJDVMNDTGSVQOU-MZCUTJAOSA-N

Properties

• Density: 1.09g/cm³ (Cal.)
• Boiling point: 586.084°C at 760 mmHg (Cal.)
• Flash point: 79.594°C (Cal.)